4-methylbenzenesulfonate; 1-methyl-N-[(4-methyl-3,4-diphenyl-cyclopent-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-[(4-methyl-3,4-diphenyl-cyclopent-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-[(4-methyl-3,4-diphenyl-cyclopent-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-[(4-methyl-3,4-diphenyl-1-cyclopent-2-enylidene)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-[(4-methyl-3,4-diphenylcyclopent-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-[(4-methyl-3,4-diphenyl-cyclopent-2-en-1-ylidene)amino]pyridin-1-ium-3-carboxamide tosylate Formula: C32H31N3O4S MolecularWeight: 553.67124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=NNC(=O)C2=C[N+](=CC=C2)C)C=C1C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=NNC(=O)C2=C[N+](=CC=C2)C)C=C1C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O.C7H8O3S/c1-25(21-13-7-4-8-14-21)17-22(16-23(25)19-10-5-3-6-11-19)26-27-24(29)20-12-9-15-28(2)18-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-16,18H,17H2,1-2H3;2-5H,1H3,(H,8,9,10)